Chemical Properties of 3-oxatricyclo[3.2.1.02,4]octane (CAS 278-74-0)

InChI

InChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2/t4?,5?,6-,7+

InChI Key

OHNNZOOGWXZCPZ-CYDAGYADSA-N

Formula

C7H10O

SMILES

C1CC2CC1C1OC21

Molecular Weight¹

110.15

CAS

278-74-0

Other Names

• cis-2,3-Epoxybicyclo[2.2.1]heptane

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-4085.70	kJ/mol	NIST
ΔfH°gas	-53.90 ± 2.60	kJ/mol	NIST
ΔfH°solid	-98.00 ± 2.50	kJ/mol	NIST
ΔfusH°	19.44	kJ/mol	Joback Calculated Property
ΔsubH°	[44.10; 44.10]	kJ/mol
ΔsubH°	44.10 ± 0.50	kJ/mol	NIST
ΔsubH°	44.10	kJ/mol	NIST
ΔvapH°	42.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
logPoct/wat	1.184		Crippen Calculated Property
McVol	82.780	ml/mol	McGowan Calculated Property
Tboil	429.06	K	Relay (1.0) Calculated Property
Tfus	396.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[108.17; 344.08]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.25820e+02
Coefficient B			1.10160e+00
Coefficient C			-9.94700e-04
Coefficient D			3.63000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	108.17	J/mol×K	273.00	Calculated Property
Cp,gas	155.48	J/mol×K	353.78	Calculated Property
Cp,gas	194.84	J/mol×K	434.56	Calculated Property
Cp,gas	227.39	J/mol×K	515.33	Calculated Property
Cp,gas	254.28	J/mol×K	596.11	Calculated Property
Cp,gas	276.67	J/mol×K	676.89	Calculated Property
Cp,gas	295.69	J/mol×K	757.67	Calculated Property
Cp,gas	312.51	J/mol×K	838.44	Calculated Property
Cp,gas	328.25	J/mol×K	919.22	Calculated Property
Cp,gas	344.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010147; 0.0011455]	Pa×s	[396.15; 421.06]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-4.84310e+00
Coefficient B			-8.12150e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			396.15
Temperature range, max.			421.06
η	0.0010147	Pa×s	396.15	Calculated Property
η	0.0010292	Pa×s	398.92	Calculated Property
η	0.0010437	Pa×s	401.69	Calculated Property
η	0.0010583	Pa×s	404.45	Calculated Property
η	0.0010728	Pa×s	407.22	Calculated Property
η	0.0010873	Pa×s	409.99	Calculated Property
η	0.0011019	Pa×s	412.76	Calculated Property
η	0.0011164	Pa×s	415.52	Calculated Property
η	0.0011310	Pa×s	418.29	Calculated Property
η	0.0011455	Pa×s	421.06	Calculated Property

Similar Compounds

Find more compounds similar to 3-oxatricyclo[3.2.1.02,4]octane.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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